SCHEMBL21112347

SCHEMBL21112347

CC(C)(C)C[C@](NC(=O)OCc1ccccc1)(C(=O)O)c1ccc2[nH]c(=O)ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PKM P14618 1/20 0.39
▸ MMP1 P03956 3/20 0.38
▸ MMP12 P39900 3/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ POLB P06746 2/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ PDE3B Q13370 1/20 0.37
▸ PDE3A Q14432 1/20 0.37
▸ CTSS P25774 2/20 0.36
▸ ACHE P22303 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ CTSL P07711 1/20 0.36
▸ CTSB P07858 1/20 0.36
▸ TACR1 P25103 1/20 0.36
▸ ITGB3 P05106 1/20 0.35
▸ ITGA2B P08514 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21112351 1.00 MEN1 (0.40) MEN1KMT2APKMMMP1MMP12
SCHEMBL20908217 0.89 TACR1 (0.37) MEN1KMT2APKMMMP1MMP12
SCHEMBL23114826 0.89 TACR1 (0.37) MEN1KMT2APKMMMP1MMP12
SCHEMBL21112302 0.80 MEN1 (0.39) MEN1KMT2AMMP1CTSSMGLL
SCHEMBL21112298 0.80 MEN1 (0.39) MEN1KMT2AMMP1CTSSMGLL
SCHEMBL21112128 0.80 MEN1 (0.40) MEN1KMT2APOLBCTSSMGLL
SCHEMBL21112129 0.80 MEN1 (0.40) MEN1KMT2APOLBCTSSMGLL
SCHEMBL21112557 0.79 PLAU (0.41) MEN1KMT2ACTSSMGLLCTSL
SCHEMBL21112560 0.79 PLAU (0.41) MEN1KMT2ACTSSMGLLCTSL
SCHEMBL21112612 0.78 HDAC1 (0.45) MEN1KMT2APOLBCTSSMGLL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3694846-B1 1-BENZYL-2-IMINO-4-PHENYL-5-OXOIMIDAZOLIDINE DERIVATIVES AS HIV PROTEASE INHIBITORS GILEAD SCIENCES INC (US) 2024-05-08 — — EP disclosed
US-11352329-B2 HIV protease inhibitors GILEAD SCIENCES, INC. (US) 2022-06-07 — — US disclosed
US-20210078959-A1 HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2021-03-18 — — US disclosed
US-10774053-B2 HIV protease inhibitors GILEAD SCIENCES, INC. (US) 2020-09-15 — — US disclosed
US-20190210978-A1 HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2019-07-11 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210078959-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, FURIN MEN1 2814/4885KMT2A 1556/4885PKM 1554/4885
US-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN MEN1 2814/4885KMT2A 1556/4885PKM 1554/4885
US-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN MEN1 2814/4885KMT2A 1556/4885PKM 1554/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN MEN1 463/4885KMT2A 1129/4885PKM 2183/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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